4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one

C9H12FN3O3 — CID 515105

IUPAC4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one
SMILESC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](F)[C@@H]1O
InChIInChI=1S/C9H12FN3O3/c1-4-7(14)6(10)8(16-4)13-3-2-5(11)12-9(13)15/h2-4,6-8,14H,1H3,(H2,11,12,15)/t4-,6+,7-,8-/m1/s1
InChIKeyOCXOUAZGYAUARN-PXBUCIJWSA-N
MW229.21 g/mol
LogP-0.56
Rot. Bonds1

About 4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one (PubChem CID 515105) has the molecular formula C9H12FN3O3 and a molecular weight of 229.21 g/mol. Its IUPAC name is 4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one
PubChem CID515105
Molecular FormulaC9H12FN3O3
Molecular Weight229.21 g/mol
Exact Mass229.09
IUPAC Name4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one
SMILESC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](F)[C@@H]1O
InChIInChI=1S/C9H12FN3O3/c1-4-7(14)6(10)8(16-4)13-3-2-5(11)12-9(13)15/h2-4,6-8,14H,1H3,(H2,11,12,15)/t4-,6+,7-,8-/m1/s1
InChIKeyOCXOUAZGYAUARN-PXBUCIJWSA-N
XLogP-0.56
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one (CID 515105) is 4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one is C[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](F)[C@@H]1O.
What is the InChIKey of 4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one?
The InChIKey is OCXOUAZGYAUARN-PXBUCIJWSA-N. The full InChI is InChI=1S/C9H12FN3O3/c1-4-7(14)6(10)8(16-4)13-3-2-5(11)12-9(13)15/h2-4,6-8,14H,1H3,(H2,11,12,15)/t4-,6+,7-,8-/m1/s1.
What are the key properties of 4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one has a molecular weight of 229.21 g/mol, XLogP of -0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 515105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).